CID 168864112

C12H20I2O2Si — CID 168864112

IUPAC—
SMILESC=CC(=O)OC(C)CCCCCC[Si]C(I)I
InChIInChI=1S/C12H20I2O2Si/c1-3-11(15)16-10(2)8-6-4-5-7-9-17-12(13)14/h3,10,12H,1,4-9H2,2H3
InChIKeyRBTQPDLKRKDWAO-UHFFFAOYSA-N
MW478.18 g/mol
LogP4.33
Rot. Bonds10

About CID 168864112

CID 168864112 (PubChem CID 168864112) has the molecular formula C12H20I2O2Si and a molecular weight of 478.18 g/mol.

Molecular Properties

Compound NameCID 168864112
PubChem CID168864112
Molecular FormulaC12H20I2O2Si
Molecular Weight478.18 g/mol
Exact Mass477.93
IUPAC Name—
SMILESC=CC(=O)OC(C)CCCCCC[Si]C(I)I
InChIInChI=1S/C12H20I2O2Si/c1-3-11(15)16-10(2)8-6-4-5-7-9-17-12(13)14/h3,10,12H,1,4-9H2,2H3
InChIKeyRBTQPDLKRKDWAO-UHFFFAOYSA-N
XLogP4.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.18
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 168864126
CID 168864126
CID 168864235
CID 168864235
CID 168864161
CID 168864161
CID 168864103
CID 168864103
6-prop-2-enoyloxyheptan-2-yl prop-2-enoate
CID 58537732
15-triiodosilylpentadecan-2-yl prop-2-enoate
CID 168864274
6-triiodosilylhexan-2-yl prop-2-enoate
CID 168864108
20-[iodo(dimethyl)silyl]icosan-2-yl prop-2-enoate
CID 168864209
19-[iodo(dimethyl)silyl]nonadecan-2-yl prop-2-enoate
CID 168864259
CID 156681365
CID 156681365
9-trihydroxysilylnonan-2-yl prop-2-enoate
CID 176894316
5-methylhexan-2-yl prop-2-enoate
CID 151222941

Frequently Asked Questions

What is the IUPAC name of CID 168864112?
The IUPAC name of CID 168864112 (CID 168864112) is not available.
What is the SMILES notation for CID 168864112?
The canonical SMILES for CID 168864112 is C=CC(=O)OC(C)CCCCCC[Si]C(I)I.
What is the InChIKey of CID 168864112?
The InChIKey is RBTQPDLKRKDWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20I2O2Si/c1-3-11(15)16-10(2)8-6-4-5-7-9-17-12(13)14/h3,10,12H,1,4-9H2,2H3.
What are the key properties of CID 168864112?
CID 168864112 has a molecular weight of 478.18 g/mol, XLogP of 4.33, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168864112 is sourced from PubChem (CID 168864112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).